1-(2,4-dichlorophenyl)-N-(3,4,5-trimethoxyphenyl)methanimine

C16H15Cl2NO3 — CID 3899999

IUPAC1-(2,4-dichlorophenyl)-N-(3,4,5-trimethoxyphenyl)methanimine
SMILESCOc1cc(/N=C/c2ccc(Cl)cc2Cl)cc(OC)c1OC
InChIInChI=1S/C16H15Cl2NO3/c1-20-14-7-12(8-15(21-2)16(14)22-3)19-9-10-4-5-11(17)6-13(10)18/h4-9H,1-3H3/b19-9+
InChIKeyVBYQYJRYGVYGKT-DJKKODMXSA-N
MW340.21 g/mol
LogP4.77
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-N-(3,4,5-trimethoxyphenyl)methanimine

1-(2,4-dichlorophenyl)-N-(3,4,5-trimethoxyphenyl)methanimine (PubChem CID 3899999) has the molecular formula C16H15Cl2NO3 and a molecular weight of 340.21 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-(3,4,5-trimethoxyphenyl)methanimine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-(3,4,5-trimethoxyphenyl)methanimine
PubChem CID3899999
Molecular FormulaC16H15Cl2NO3
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC Name1-(2,4-dichlorophenyl)-N-(3,4,5-trimethoxyphenyl)methanimine
SMILESCOc1cc(/N=C/c2ccc(Cl)cc2Cl)cc(OC)c1OC
InChIInChI=1S/C16H15Cl2NO3/c1-20-14-7-12(8-15(21-2)16(14)22-3)19-9-10-4-5-11(17)6-13(10)18/h4-9H,1-3H3/b19-9+
InChIKeyVBYQYJRYGVYGKT-DJKKODMXSA-N
XLogP4.77
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dichlorophenyl)-N-(3,4-dimethoxyphenyl)methanimine
CID 5070824
1-(2,4-dichlorophenyl)-N-(3,4-dichlorophenyl)methanimine
CID 3629789
1-(2,4-dichlorophenyl)-N-(2-methoxy-5-nitrophenyl)methanimine
CID 3520188
1-(5-chloro-2-methoxyphenyl)-N-(3-chloro-4-methylphenyl)methanimine
CID 833856
1-(2,4-dichlorophenyl)-N-[4-[4-[(2,4-dichlorophenyl)methylideneamino]phenyl]sulfonylphenyl]methanimine
CID 3091569
1-(2,3,4-trimethoxyphenyl)-N-[4-[(2,3,4-trimethoxyphenyl)methylideneamino]phenyl]methanimine
CID 71343645
1-(4-ethylphenyl)-N-(3,4,5-trimethoxyphenyl)methanimine
CID 7326664
(3,4,5-trimethoxyphenyl)methyl (E)-3-(2,4-dichlorophenyl)prop-2-enoate
CID 9095597
N-[(4-chloro-2-methoxyphenyl)methylidene]hydroxylamine
CID 71832955
1-(6-methoxynaphthalen-2-yl)-N-(3,4,5-trimethoxyphenyl)methanimine
CID 50905580
N-[(2,4-dichlorophenyl)methylideneamino]methanamine
CID 67650124
1-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)methanimine
CID 23761418

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-(3,4,5-trimethoxyphenyl)methanimine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-(3,4,5-trimethoxyphenyl)methanimine (CID 3899999) is 1-(2,4-dichlorophenyl)-N-(3,4,5-trimethoxyphenyl)methanimine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-(3,4,5-trimethoxyphenyl)methanimine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-(3,4,5-trimethoxyphenyl)methanimine is COc1cc(/N=C/c2ccc(Cl)cc2Cl)cc(OC)c1OC.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-(3,4,5-trimethoxyphenyl)methanimine?
The InChIKey is VBYQYJRYGVYGKT-DJKKODMXSA-N. The full InChI is InChI=1S/C16H15Cl2NO3/c1-20-14-7-12(8-15(21-2)16(14)22-3)19-9-10-4-5-11(17)6-13(10)18/h4-9H,1-3H3/b19-9+.
What are the key properties of 1-(2,4-dichlorophenyl)-N-(3,4,5-trimethoxyphenyl)methanimine?
1-(2,4-dichlorophenyl)-N-(3,4,5-trimethoxyphenyl)methanimine has a molecular weight of 340.21 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-(3,4,5-trimethoxyphenyl)methanimine is sourced from PubChem (CID 3899999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).